Geometry & MOs

Info

ID:	40952
PubChem CID:	8145009
Reduced:	N3O5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	390.202896
ΔH_f, kcal/mol:	-202.82
Dipole, Da:	1.43
IP(EA), eV:	-9.06(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 1-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]piperidin-1-ium-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CN2C(=O)[C@@](NC2=O)(C)C3=CC(=CC=C3)OC

DOS

IR

Vibrations